Article
Thermodynamics
Mehdi Noori, Bengt Hallstedt
Summary: In this work, the Al-Co-Fe ternary system was thermodynamically modeled using the Calphad method, and the optimized model showed good agreement with experimental measurements.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Sourav Kumar Panda, In-Ho Jung
Summary: Thermodynamic optimization of phase diagrams and properties were carried out for the FeO-Fe2O3-MnO-Mn2O3-TiO2-Ti2O3 system at 1 atm pressure. Experimental determination of isothermal phase diagrams and use of thermodynamic models led to reliable prediction of phase equilibria.
METALS AND MATERIALS INTERNATIONAL
(2021)
Article
Thermodynamics
Enlang Feng, Kailin Huang, Jiang Wang, Fangyu Gan, Qingrong Yao, Zhao Lu, Qingkai Yang, Zhimao Lu, Zongning Chen, Caimin Huang, Qianxin Long, Huaiying Zhou, Liying Luo
Summary: The phase equilibria of the La-Fe-Si system were investigated using a combination of experimental and thermodynamic modeling methods. The experimental results and literature reports were utilized to optimize the thermodynamic model parameters, and the calculated data were in good agreement with the experimental data.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2023)
Article
Chemistry, Physical
K. Santhy, K. C. Hari Kumar
Summary: Phase diagram calculation of the Fe-Ti system was achieved by coupling CALPHAD with first principle methods, utilizing a single Gibbs energy model for FeTi and incorporating magnetic properties of the Laves phase. Two sublattice and three sublattice models were used to represent the Laves phase, with the latter showing better agreement with experimental data.
Article
Materials Science, Multidisciplinary
I. A. Shchukin, Yu D. Fomin
Summary: The crystal structure of the Stillinger-Weber system in a narrow slit pore has been investigated, revealing that the system can form multiple crystal phases depending on density. Furthermore, the system splits into several layers with varying symmetry, which is not observed in systems with only pairwise interactions.
RESULTS IN PHYSICS
(2022)
Article
Chemistry, Physical
V. T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht
Summary: This paper presents the thermodynamic modeling of the complete ternary Fe-Ni-Si system based on experimental results and literature information. Key experiments were conducted to verify the phases and phase fractions in Fe-Ni-Si alloys, and the chemical compositions were analyzed. The modeling results match well with the experimental data, especially for the Fe-rich corner of the system. The ternary database developed in this study provides valuable information for phase diagrams and thermodynamic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Multidisciplinary Sciences
Primoz Kozelj, Andreja Jelen, Goran Drazic, Stanislav Vrtnik, Joze Luzar, Magdalena Wencka, Anton Meden, Michael Feuerbacher, Janez Dolinsek
Summary: We investigated the magnetism of the nanostructured Al28Co20Cr11Fe15Ni26 single-crystalline high-entropy alloy, which consists of a B2 matrix and dispersed A2 nanoparticles. The Cr-free B2 matrix shows a disordered ferromagnetic state with a transition temperature of approximately 390 K. The Al-and Ni-free A2 nanoparticles exhibit a core-shell structure, with FM shells and asperomagnetic cores showing broken-ergodicity phenomena below 15 K.
Article
Materials Science, Ceramics
Seungjoo Baek, In-Ho Jung
Summary: The phase diagram of the Y2O3-YF3 system up to 1973K was experimentally determined and confirmed using classical equilibration/quenching method and differential thermal analysis. The thermodynamic modeling of the system was done using CALPHAD method. The calculated metastable solubilities of YF3 in Y2O3 during plasma etching process were also presented.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
I. Fartushna, A. Samelyuk, K. Meleshevich, I. Tikhonova, V. Novichenko, M. Bulanova
Summary: This paper presents a comprehensive study on the phase equilibria in the Al-Fe-V system using various techniques, and constructs phase diagrams and isothermal lines to describe the equilibrium phases and reactions. The results show the existence of multiple phase equilibria and transformations at different temperatures.
MATERIALS CHARACTERIZATION
(2023)
Article
Optics
Meera M. Parish, Haydn S. Adlong, Weizhe Edward Liu, Jesper Levinsen
Summary: Research on a highly spin-imbalanced limit of a two-component Fermi gas shows that the properties of impurities can sharply change through a polaron-molecule transition at zero temperature, which becomes a smooth crossover at finite temperature. Remnants of the single-impurity transition can be observed in the momentum-resolved spectral function, and the Tan contact exhibits a characteristic nonmonotonic dependence on temperature.
Article
Chemistry, Physical
M. Ilatovskaia, O. Fabrichnaya
Summary: Phase relations in the Al2O3-MnOx system were investigated, showing that Al2MnO4 melts by peritectic reaction at 2000 K. A new thermodynamic description of the Al-Mn-O system was derived using experimental data and thermodynamic parameters were evaluated to describe experimental data in the entire compositional range.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Woo Chang Chung, Julius de Hond, Jinggang Xiang, Enid Cruz-Colon, Wolfgang Ketterle
Summary: This study explores nonequilibrium spin dynamics in Mott insulator plateaus, observing a resonant effect in spin alignment as lattice depth changes when exchange coupling and on-site anisotropy are similar. The results are supported by many-body numerical simulations and analytical solutions of a two-site model. The research demonstrates the importance of a uniaxial single-ion anisotropy term in stabilizing magnetism for low-dimensional magnetic materials in optical lattices.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Ivana Kirkovska, Viera Homolova, Ondrej Zobac, Adela Zemanova
Summary: The present study experimentally investigated phase equilibria relations in the B-Fe-W ternary system. The results were used to model the system using the CALPHAD method, and the volume phase fractions of selected B-Fe-W alloys were determined through image analysis.
JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION
(2021)
Article
Materials Science, Ceramics
Seungjoo Baek, In-Ho Jung
Summary: The phase diagram of the MgO-Y2O3-MgF2-YF3 system was studied for the first time using experimental techniques and thermodynamic modeling. No ternary or quaternary crystalline phase was observed, and the eutectic reactions in the system were identified. The overall phase diagram was calculated using the CALPHAD method.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Yanglin Wang, Min Jiang, Runze Wang, Zunhong Wen, Hongxiao Li, Yuping Ren, Gaowu Qin
Summary: The phase equilibria and phase transformations of Fe-Pt-Au alloys were investigated, and it was found that the addition of Au promotes the ordering process. The mechanism behind this phenomenon was analyzed using experiments and thermodynamics.
Article
Physics, Multidisciplinary
W. Knafo, M. Nardone, M. Valiska, A. Zitouni, G. Lapertot, D. Aoki, G. Knebel, D. Braithwaite
Summary: Superconductivity induced by a magnetic field near metamagnetism is observed in the orthorhombic paramagnet UTe2. The study investigates the variation in superconducting properties under different magnetic-field directions and their relation to metamagnetism. The similar behavior of superconductivity in different field directions poses constraints on theoretical models and suggests the involvement of subtle factors.
COMMUNICATIONS PHYSICS
(2021)
Article
Physics, Multidisciplinary
Dai Aoki, Motoi Kimata, Yoshiki J. Sato, Georg Knebel, Fuminori Honda, Ai Nakamura, Dexin Li, Yoshiya Homma, Yusei Shimizu, William Knafo, Daniel Braithwaite, Michal Valiska, Alexandre Pourret, Jean-Pascal Brison, Jacques Flouquet
Summary: The study on magnetoresistance under pressure in UTe2, a novel spin-triplet superconductor, reveals changes in superconducting properties as pressure increases, with the emergence of magnetic order close to the critical pressure leading to field-reentrant behavior, and field-induced superconductivity observed at high fields.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2021)
Article
Multidisciplinary Sciences
D. H. Nguyen, A. Sidorenko, M. Taupin, G. Knebel, G. Lapertot, E. Schuberth, S. Paschen
Summary: The discovery of unconventional superconductivity in the strange metal YbRh2Si2 and the proposal of a possible pairing mechanism sheds light on understanding the mechanism of unconventional superconductivity.
NATURE COMMUNICATIONS
(2021)
Article
Physics, Multidisciplinary
Stephane Raymond, William Knafo, Georg Knebel, Koji Kaneko, Jean-Pascal Brison, Jacques Flouquet, Dai Aoki, Gerard Lapertot
Summary: In the superconducting phase of UTe2, unique spin dynamics were observed, including a reduction in relaxation rate and the development of an inelastic peak. The low dimensional nature and a-axis polarization of fluctuations were maintained below the superconducting transition. The high ratio Omega/k(B)T(sc) of approximately 7.2 contrasts with common behavior in heavy fermion superconductors.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2021)
Article
Nanoscience & Nanotechnology
Emeric Bourasseau, Claire Onofri, Amani Ksibi, Xaviere Iltis, Renaud C. Belin, Gerard Lapertot
Summary: In this study, high resolution transmission electron microscopy and numerical simulation were combined for the first time to investigate the atomic structure of two Sigma 5 symmetric tilt grain boundaries in uranium dioxide bicrystals. The results showed excellent agreement between experimentally observed and simulated structures, highlighting the relevance of the coupled approach. It was emphasized that the use of CRG and Yakub empirical potentials including a Morse contribution can be relied upon to model the behavior of UO2.
SCRIPTA MATERIALIA
(2022)
Article
Physics, Multidisciplinary
D. Hafner, P. Khanenko, E. O. Eljaouhari, R. Kuechler, J. Banda, N. Bannor, T. Luehmann, J. F. Landaeta, S. Mishra, I. Sheikin, E. Hassinger, S. Khim, C. Geibel, G. Zwicknagl, M. Brando
Summary: CeRh2As2 is a rare case of a multiphase unconventional superconductor close to a quantum critical point. A comprehensive study reveals the existence of a phase I below T-0 ≈ 0.4 K, which precedes the superconductivity at T-c = 0.26 K. Phase I shows a nonmagnetic origin and a gap opening at the Fermi level. The thermal expansion indicates a strong-positive-pressure dependence of T-0 and a magnetic field can induce a first-order phase transition from phase I to phase II.
Editorial Material
Physics, Multidisciplinary
Dai Aoki, Ilya Sheikin, Alix McCollam, Jun Ishizuka, Youichi Yanase, Gerard Lapertot, Jacques Flouquet, Georg Knebel
Summary: In this study, de Haas -van Alphen (dHvA) experiments were performed in the spintriplet superconductor UTe2, revealing the presence of three fundamental dHvA frequencies and suggesting the existence of cylindrical Fermi surfaces. The possibility of small pocket Fermi surfaces associated with extremely heavy masses cannot be fully excluded.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2023)
Article
Physics, Multidisciplinary
Fabrice Wilhelm, Jean-Pierre Sanchez, Daniel Braithwaite, Georg Knebel, Gerard Lapertot, Andrei Rogalev
Summary: This article investigates the electronic structure of UTe2 through two types of X-ray spectroscopy, revealing unusual features and pressure dependence of the 5f electron count. This understanding is crucial for fully comprehending its superconducting properties.
COMMUNICATIONS PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
T. Thebault, M. Valiska, A. Pourret, D. Aoki, G. Knebel, D. Braithwaite, W. Knafo
Summary: In this study, the anisotropy of the electrical resistivity of UTe2 under intense magnetic fields was thoroughly investigated and two characteristic temperatures and a Fermiliquid-like coefficient A controlled by electronic correlations were extracted. The critical behavior near the metamagnetic transition and anisotropic scattering processes were observed. Magnetic fluctuations were proposed to contribute to the electrical resistivity through Kondo hybridization. This work calls for a microscopic modeling of the anisotropic contributions to the electrical resistivity as a milestone for understanding magnetically mediated superconductivity in UTe2.
Article
Materials Science, Multidisciplinary
K. Goetze, B. Bergk, O. Ignatchik, A. Polyakov, I. Kraft, V. Lorenz, H. Rosner, T. Foerster, S. Seiro, I. Sheikin, J. Wosnitza, C. Geibel
Summary: In this study, magnetic-torque experiments and density functional theory band-structure calculations were used to investigate the magnetic properties and Fermi surface structure of EuIr2Si2. The results showed a temperature-dependent, noninteger europium valence at low temperatures. Furthermore, an increase in effective mass with magnetic field was observed.
Article
Materials Science, Multidisciplinary
M. Valiska, W. Knafo, G. Knebel, G. Lapertot, D. Aoki, D. Braithwaite
Summary: The study investigated the electrical resistivity of UTe2 under pressure and magnetic fields, showing a field-enhancement of superconductivity near the critical pressure coinciding with a boost of effective mass related to the collapse of metamagnetic and critical fields at the boundaries of the correlated paramagnetic regime and magnetically-ordered phase. Beyond the critical pressure, field-induced transitions precede the destruction of the magnetically-ordered phase, suggesting an antiferromagnetic nature.
Article
Materials Science, Multidisciplinary
M. Barbier, M. Sundermann, A. Poux, A. Rogalev, D. Braithwaite, J. -P. Sanchez, F. Wilhelm
Summary: The archetypical heavy-fermion superconductor CeCu2Si2 exhibits two distinct superconducting phases under pressure. Changes in pressure and applied magnetic field cause a continuous increase in the valence of Ce, with only a continuous valence change observed so far.
Article
Materials Science, Multidisciplinary
W. Knafo, G. Knebel, P. Steffens, K. Kaneko, A. Rosuel, J-P Brison, J. Flouquet, D. Aoki, G. Lapertot, S. Raymond
Summary: Inelastic neutron scattering measurements on a single crystal of heavy-fermion paramagnet UTe2 revealed the presence of antiferromagnetic fluctuations with specific characteristics. Weak correlations and saturation temperature of the magnetic fluctuations were highlighted as key findings in this study, providing constraints for models of magnetically mediated superconductivity in UTe2.
Article
Materials Science, Multidisciplinary
C. Paulsen, G. Knebel, G. Lapertot, D. Braithwaite, A. Pourret, D. Aoki, F. Hardy, J. Flouquet, J-P Brison
Summary: Our study on single crystals of UTe2 reveals interesting findings, such as the diamond-shaped hysteresis curves and the 100% shielding effect of the Meissner state. However, the flux pinning effect due to ferromagnetism becomes significant at lower magnetic fields.